ChemSpider 2D Image | [(10beta)-6-Methyl-8,9-didehydroergolin-8-yl]methanol | C16H18N2O

[(10β)-6-Methyl-8,9-didehydroergolin-8-yl]methanol

  • Molecular FormulaC16H18N2O
  • Average mass254.327 Da
  • Monoisotopic mass254.141907 Da
  • ChemSpider ID26356766

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(10β)-6-Methyl-8,9-didehydroergolin-8-yl]methanol [German] [ACD/IUPAC Name]
[(10β)-6-Methyl-8,9-didehydroergolin-8-yl]methanol [ACD/IUPAC Name]
[(10β)-6-Méthyl-8,9-didéhydroergolin-8-yl]méthanol [French] [ACD/IUPAC Name]
Methanol, 1-[(10β)-8,9-didehydro-6-methylergolin-8-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 236.8±28.7 °C
Index of Refraction: 1.676
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.16
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 24.82
ACD/KOC (pH 7.4): 249.24
Polar Surface Area: 39 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 203.8±3.0 cm3

Click to predict properties on the Chemicalize site


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